3-bromo-6-methoxy-7-methyl-1H-indole

C10H10BrNO — CID 130052152

IUPAC3-bromo-6-methoxy-7-methyl-1H-indole
SMILESCOc1ccc2c(Br)c[nH]c2c1C
InChIInChI=1S/C10H10BrNO/c1-6-9(13-2)4-3-7-8(11)5-12-10(6)7/h3-5,12H,1-2H3
InChIKeyPJKVDPVRJJKWEO-UHFFFAOYSA-N
MW240.10 g/mol
LogP3.25
Rot. Bonds1

About 3-bromo-6-methoxy-7-methyl-1H-indole

3-bromo-6-methoxy-7-methyl-1H-indole (PubChem CID 130052152) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-6-methoxy-7-methyl-1H-indole.

Molecular Properties

Compound Name3-bromo-6-methoxy-7-methyl-1H-indole
PubChem CID130052152
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-bromo-6-methoxy-7-methyl-1H-indole
SMILESCOc1ccc2c(Br)c[nH]c2c1C
InChIInChI=1S/C10H10BrNO/c1-6-9(13-2)4-3-7-8(11)5-12-10(6)7/h3-5,12H,1-2H3
InChIKeyPJKVDPVRJJKWEO-UHFFFAOYSA-N
XLogP3.25
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
3-bromo-5-fluoro-7-methoxy-1H-indole
CID 130052168
3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole
CID 163052484
7-bromo-3-(chloromethyl)-6-methoxy-1H-indole
CID 130049757
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
CID 83901052
6-bromo-3-methoxy-2-methylaniline
CID 67280395
2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 121255014
2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 122697808
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
6-bromo-3-ethyl-7-methyl-1H-indole
CID 130049630
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-7-methyl-1H-indole?
The IUPAC name of 3-bromo-6-methoxy-7-methyl-1H-indole (CID 130052152) is 3-bromo-6-methoxy-7-methyl-1H-indole.
What is the SMILES notation for 3-bromo-6-methoxy-7-methyl-1H-indole?
The canonical SMILES for 3-bromo-6-methoxy-7-methyl-1H-indole is COc1ccc2c(Br)c[nH]c2c1C.
What is the InChIKey of 3-bromo-6-methoxy-7-methyl-1H-indole?
The InChIKey is PJKVDPVRJJKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-9(13-2)4-3-7-8(11)5-12-10(6)7/h3-5,12H,1-2H3.
What are the key properties of 3-bromo-6-methoxy-7-methyl-1H-indole?
3-bromo-6-methoxy-7-methyl-1H-indole has a molecular weight of 240.10 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-7-methyl-1H-indole is sourced from PubChem (CID 130052152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).